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R4D

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.53Å
C3C2sing1.53Å1.56Å
C3C4sing1.51Å1.52Å
C2C10sing1.51Å1.53Å
C5C4doub1.38Å1.38ÅAromatic
C5C6sing1.38Å1.39ÅAromatic
C4C9sing1.38Å1.40ÅAromatic
C6C7doub1.38Å1.39ÅAromatic
C10O11doub1.21Å1.21Å
C10N12sing1.35Å1.37Å
C9C8doub1.38Å1.40ÅAromatic
C7C8sing1.38Å1.40ÅAromatic
C13N12sing1.47Å1.47Å
C13C14sing1.53Å1.51Å
N12C18sing1.47Å1.50Å
C14C15sing1.53Å1.54Å
N22C21doub1.30Å1.31Å
N22C23sing1.36Å1.37Å
C24C23doub1.40Å1.41ÅAromatic
C24C25sing1.38Å1.38ÅAromatic
C18C17sing1.53Å1.55Å
C21N20sing1.36Å1.37Å
C23C28sing1.41Å1.43ÅAromatic
C25C26doub1.39Å1.40ÅAromatic
C15C17sing1.53Å1.54Å
C15O16sing1.43Å1.42Å
C15C19sing1.53Å1.55Å
N20C19sing1.47Å1.49Å
N20C29sing1.35Å1.38Å
C28C29sing1.47Å1.49Å
C28C27doub1.39Å1.41ÅAromatic
C26C27sing1.38Å1.39ÅAromatic
C29O30doub1.22Å1.21Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C2H4sing1.09Å1.10Å
C3H5sing1.09Å1.10Å
C3H6sing1.09Å1.10Å
C5H7sing1.08Å1.08Å
C6H8sing1.08Å1.08Å
C7H9sing1.08Å1.08Å
C8H10sing1.08Å1.08Å
C17H11sing1.09Å1.10Å
C17H12sing1.09Å1.10Å
C18H13sing1.09Å1.10Å
C18H14sing1.09Å1.10Å
C19H15sing1.09Å1.10Å
C19H16sing1.09Å1.10Å
C21H17sing1.08Å1.08Å
C24H18sing1.08Å1.08Å
C27H19sing1.08Å1.08Å
C9H20sing1.08Å1.08Å
C13H21sing1.09Å1.10Å
C13H22sing1.09Å1.10Å
C14H23sing1.09Å1.10Å
C14H24sing1.09Å1.10Å
O16H25sing0.97Å0.95Å
C25H26sing1.08Å1.08Å
C26H27sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1C2C3111.9°109.4°
C1C2C10111.5°109.4°
C2C1H1109.5°109.4°
C2C1H2109.5°109.5°
C2C1H3109.5°109.5°
C1C2H4108.1°109.5°
C2C3C4112.0°109.5°
C3C2C10109.1°109.5°
C3C2H4107.9°109.5°
C2C3H5108.8°109.4°
C2C3H6108.8°109.5°
C3C4C5117.3°120.0°
C3C4C9123.5°120.0°
C4C3H5108.8°109.5°
C4C3H6108.8°109.5°
C2C10O11114.4°120.0°
C2C10N12125.9°120.0°
C10C2H4108.1°109.5°
C4C5C6121.4°120.0°
C5C4C9119.2°120.0°
C4C5H7119.3°120.0°
C5C6C7119.6°120.0°
C6C5H7119.3°120.0°
C5C6H8120.2°120.0°
C4C9C8119.7°120.0°
C4C9H20120.2°120.0°
C6C7C8119.8°120.0°
C7C6H8120.2°120.0°
C6C7H9120.1°120.0°
O11C10N12119.5°120.0°
C10N12C13123.5°120.6°
C10N12C18123.5°120.7°
C9C8C7120.3°120.0°
C9C8H10119.9°120.0°
C8C9H20120.1°120.0°
C8C7H9120.1°120.0°
C7C8H10119.8°120.0°
N12C13C14111.2°108.8°
C13N12C18112.9°118.7°
N12C13H21109.0°109.6°
N12C13H22109.0°109.6°
C13C14C15113.8°109.3°
C14C13H21109.0°109.6°
C14C13H22109.0°109.6°
C13C14H23108.4°109.5°
C13C14H24108.4°109.6°
N12C18C17110.0°108.8°
N12C18H13109.3°109.5°
N12C18H14109.3°109.7°
C14C15C17107.5°109.6°
C14C15O16109.3°109.4°
C14C15C19112.7°109.4°
C15C14H23108.4°109.5°
C15C14H24108.4°109.5°
C21N22C23122.2°121.6°
N22C21N20124.4°123.3°
N22C21H17117.8°118.3°
N22C23C24121.0°121.7°
N22C23C28118.6°119.0°
C23C24C25120.2°119.7°
C24C23C28120.2°119.4°
C23C24H18119.9°120.2°
C24C25C26120.2°120.8°
C25C24H18119.9°120.1°
C24C25H26119.9°119.6°
C18C17C15112.4°109.3°
C18C17H11108.8°109.5°
C18C17H12108.7°109.6°
C17C18H13109.4°109.6°
C17C18H14109.4°109.6°
C21N20C19116.7°119.7°
C21N20C29118.7°120.7°
N20C21H17117.8°118.4°
C23C28C29117.4°118.0°
C23C28C27117.9°120.1°
C25C26C27120.7°120.6°
C26C25H26119.9°119.6°
C25C26H27119.7°119.7°
C17C15O16108.9°109.5°
C17C15C19111.5°109.5°
C15C17H11108.7°109.5°
C15C17H12108.7°109.5°
O16C15C19107.0°109.5°
C15O16H25109.5°114.0°
C15C19N20109.6°109.5°
C15C19H15109.4°109.4°
C15C19H16109.5°109.5°
C19N20C29124.6°119.7°
N20C19H15109.4°109.5°
N20C19H16109.4°109.5°
N20C29C28118.3°117.4°
N20C29O30121.4°121.3°
C29C28C27124.4°121.9°
C28C29O30120.1°121.3°
C28C27C26120.7°119.5°
C28C27H19119.6°120.2°
C26C27H19119.7°120.3°
C27C26H27119.7°119.7°
H1C1H2109.5°109.4°
H1C1H3109.5°109.5°
H2C1H3109.5°109.5°
H5C3H6109.5°109.5°
H11C17H12109.4°109.5°
H13C18H14109.5°109.5°
H15C19H16109.5°109.5°
H21C13H22109.4°109.7°
H23C14H24109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1C2C3C10123.9°119.9°
C1C2C3H4118.9°120.0°
C1C2C3C4174.9°65.0°
C1C2C10H4118.8°120.0°
C1C2C10O1165.1°23.4°
C1C2C10N12119.4°156.7°
C2C1H1H2120.0°119.9°
C2C1H1H3120.0°120.0°
C2C1H2H3120.0°120.1°
C1C2C3H554.5°175.0°
C1C2C3H664.8°55.0°
C2C3C4H5120.4°119.9°
C2C3C4H6120.4°120.0°
C3C2C10H4117.1°120.1°
C2C3C4C582.9°89.8°
C2C3C4C996.4°90.0°
C3C2C10O1159.0°96.5°
C3C2C10N12116.4°83.4°
C3C2C1H1180.0°173.5°
C3C2C1H260.0°66.6°
C3C2C1H360.0°53.5°
C2C3H5H6118.9°120.0°
C4C3C2C1051.0°175.0°
C3C4C5C9179.4°179.7°
C3C4C5C6179.4°180.0°
C3C4C9C8179.3°179.8°
C4C3C2H466.3°55.0°
C4C3H5H6118.8°120.0°
C3C4C5H70.6°0.0°
C3C4C9H200.7°0.0°
C2C10O11N12175.8°179.9°
C2C10N12C136.4°5.1°
C2C10N12C18178.1°175.0°
C10C2C1H157.5°53.5°
C10C2C1H2177.5°173.4°
C10C2C1H362.6°66.5°
C10C2C3H569.4°55.1°
C10C2C3H6171.3°64.9°
C4C5C6H7180.0°180.0°
C4C5C6C70.2°0.0°
C5C4C9C80.1°0.5°
C5C4C3H5156.7°150.3°
C5C4C3H637.5°30.3°
C4C5C6H8179.8°179.9°
C5C4C9H20179.9°179.7°
C6C5C4C90.1°0.3°
C5C6C7H8180.0°179.9°
C5C6C7C80.5°0.0°
C5C6C7H9179.4°180.0°
C4C9C8H20180.0°179.8°
C4C9C8C70.4°0.4°
C9C4C3H524.0°29.9°
C9C4C3H6143.2°150.0°
C9C4C5H7179.9°179.8°
C4C9C8H10179.6°179.8°
C6C7C8C90.6°0.2°
C6C7C8H9180.0°180.0°
C7C6C5H7179.8°180.0°
C6C7C8H10179.3°180.0°
O11C10N12C13178.3°175.0°
O11C10N12C182.9°5.0°
O11C10C2H4176.1°143.4°
C10N12C13C18175.8°179.9°
C10N12C13C14128.5°126.4°
C10N12C18C17127.9°126.4°
N12C10C2H40.6°36.7°
C10N12C18H13112.0°6.6°
C10N12C18H147.8°113.6°
C10N12C13H218.2°6.7°
C10N12C13H22111.3°113.8°
C9C8C7H10180.0°179.8°
C9C8C7H9179.3°179.8°
C8C7C6H8179.5°180.0°
C7C8C9H20179.6°179.8°
N12C13C14H21120.3°119.7°
N12C13C14H22120.3°119.8°
N12C13C14C1555.3°54.6°
C13N12C18C1756.2°53.6°
C13N12C18H1363.9°173.4°
C13N12C18H14176.3°66.3°
N12C13H21H22119.2°120.4°
N12C13C14H2365.4°174.6°
N12C13C14H24176.0°65.3°
C14C13N12C1855.7°53.6°
C13C14C15H23120.7°119.9°
C13C14C15H24120.7°120.0°
C13C14C15C1753.7°61.4°
C13C14C15O1664.2°58.6°
C13C14C15C19177.0°178.6°
C14C13H21H22119.2°120.4°
C13C14H23H24118.0°120.1°
N12C18C17H13120.1°119.8°
N12C18C17H14120.1°120.0°
N12C18C17C1556.4°54.6°
N12C18C17H11176.8°65.2°
N12C18C17H1264.1°174.7°
N12C18H13H14119.8°120.4°
C18N12C13H21176.0°173.4°
C18N12C13H2264.6°66.2°
C14C15C17C1854.2°61.3°
C14C15C17O16118.2°120.0°
C14C15C17C19124.0°120.0°
C14C15O16C19122.3°119.9°
C14C15C19N2055.4°59.9°
C14C15C17H11174.6°58.6°
C14C15C17H1266.3°178.6°
C14C15C19H15175.4°179.9°
C14C15C19H1664.7°60.1°
C15C14C13H21175.6°174.4°
C15C14C13H2265.0°65.1°
C15C14H23H24118.0°120.0°
C14C15O16H25111.0°60.0°
C21N22C23C24178.4°180.0°
N22C21N20H17180.0°179.6°
C21N22C23C282.7°0.1°
N22C21N20C19171.4°179.7°
N22C21N20C297.4°0.3°
N22C23C24C28175.6°179.9°
N22C23C24C25178.7°180.0°
C23N22C21N204.5°0.1°
N22C23C28C296.3°0.4°
N22C23C28C27179.6°179.9°
C23N22C21H17175.5°179.7°
N22C23C24H181.3°0.1°
C23C24C25H18180.0°179.9°
C23C24C25C261.2°0.1°
C24C23C28C29178.0°179.8°
C24C23C28C273.9°0.1°
C23C24C25H26178.8°180.0°
C25C24C23C283.1°0.1°
C24C25C26H26180.0°180.0°
C24C25C26C270.2°0.0°
C24C25C26H27179.8°180.0°
C18C17C15H11120.5°119.9°
C18C17C15H12120.5°120.1°
C18C17C15O1664.1°58.7°
C18C17C15C19178.1°178.7°
C18C17H11H12118.7°120.1°
C17C18H13H14119.8°120.3°
C21N20C19C1588.9°90.0°
C21N20C19C29178.8°180.0°
C21N20C29C283.1°0.6°
C21N20C29O30177.8°179.9°
C21N20C19H15151.1°29.9°
C21N20C19H1631.1°150.0°
C23C28C29N203.4°0.6°
C23C28C29C27173.6°179.7°
C23C28C27C263.0°0.0°
C23C28C29O30171.4°179.9°
C28C23C24H18176.9°180.0°
C23C28C27H19177.0°180.0°
C25C26C27C281.1°0.0°
C25C26C27H27180.0°180.0°
C26C25C24H18178.8°180.0°
C25C26C27H19178.8°180.0°
C17C15O16C19120.6°120.0°
C17C15C19N20176.3°180.0°
C15C17H11H12118.6°120.1°
C15C17C18H1363.7°174.4°
C15C17C18H14176.5°65.4°
C17C15C19H1563.7°60.0°
C17C15C19H1656.3°60.0°
C17C15C14H2366.9°178.7°
C17C15C14H24174.4°58.6°
C17C15O16H25131.9°179.9°
O16C15C19N2064.8°60.0°
O16C15C17H1156.4°178.6°
O16C15C17H12175.5°61.4°
O16C15C19H1555.3°60.0°
O16C15C19H16175.2°180.0°
O16C15C14H23175.1°61.3°
O16C15C14H2456.4°178.6°
C15C19N20H15120.0°119.9°
C15C19N20H16120.0°120.0°
C15C19N20C2989.8°90.0°
C19C15C17H1161.4°61.5°
C19C15C17H1257.7°58.6°
C15C19H15H16120.0°120.0°
C19C15C14H2356.3°58.7°
C19C15C14H2462.4°61.4°
C19C15O16H2511.3°59.9°
C19N20C29C28175.6°179.4°
C19N20C29O300.9°0.1°
N20C19H15H16119.9°120.0°
C19N20C21H178.6°0.0°
N20C29C28O30174.8°179.3°
N20C29C28C27177.0°179.7°
C29N20C19H1530.2°150.1°
C29N20C19H16150.1°30.0°
C29N20C21H17172.6°180.0°
C29C28C27C26176.6°179.7°
C29C28C27H193.4°0.3°
C28C27C26H19180.0°180.0°
C27C28C29O302.3°0.4°
C28C27C26H27178.9°180.0°
C27C26C25H26179.8°180.0°
H1C1H2H3120.0°120.0°
H1C1C2H461.3°66.5°
H2C1C2H458.7°53.4°
H3C1C2H4178.7°173.5°
H4C2C3H5173.4°65.0°
H4C2C3H654.1°175.0°
H7C5C6H80.2°0.1°
H8C6C7H90.6°0.1°
H9C7C8H100.7°0.0°
H10C8C9H200.4°0.1°
H11C17C18H1356.8°54.5°
H11C17C18H1463.1°174.8°
H12C17C18H13175.9°65.6°
H12C17C18H1456.0°54.7°
H18C24C25H261.2°0.0°
H19C27C26H271.2°0.0°
H21C13C14H2354.9°65.7°
H21C13C14H2463.8°54.5°
H22C13C14H23174.3°54.8°
H22C13C14H2455.7°174.9°
H26C25C26H270.2°0.0°

247536

PDB entries from 2026-01-14

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